7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one

Name: 7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₃₂O₄ — CID 158544330

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one

SMILESC=CC(=C)CCCCOCCOCCOCCCCC(=O)C=C

InChIInChI=1S/C19H32O4/c1-4-18(3)10-6-8-12-21-14-16-23-17-15-22-13-9-7-11-19(20)5-2/h4-5H,1-3,6-17H2

InChIKeyZZOZTTRYEANPAI-UHFFFAOYSA-N

MW324.46 g/mol

LogP3.87

Rot. Bonds18

About 7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one

7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one (PubChem CID 158544330) has the molecular formula C₁₉H₃₂O₄ and a molecular weight of 324.46 g/mol. Its IUPAC name is 7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one.

Molecular Properties

Compound Name	7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one
PubChem CID	158544330
Molecular Formula	C₁₉H₃₂O₄
Molecular Weight	324.46 g/mol
Exact Mass	324.23
IUPAC Name	7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one
SMILES	C=CC(=C)CCCCOCCOCCOCCCCC(=O)C=C
InChI	InChI=1S/C19H32O4/c1-4-18(3)10-6-8-12-21-14-16-23-17-15-22-13-9-7-11-19(20)5-2/h4-5H,1-3,6-17H2
InChIKey	ZZOZTTRYEANPAI-UHFFFAOYSA-N
XLogP	3.87
TPSA	44.76 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	18
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.46
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one?

The IUPAC name of 7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one (CID 158544330) is 7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one.

What is the SMILES notation for 7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one?

The canonical SMILES for 7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one is C=CC(=C)CCCCOCCOCCOCCCCC(=O)C=C.

What is the InChIKey of 7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one?

The InChIKey is ZZOZTTRYEANPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-4-18(3)10-6-8-12-21-14-16-23-17-15-22-13-9-7-11-19(20)5-2/h4-5H,1-3,6-17H2.

What are the key properties of 7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one?

7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one has a molecular weight of 324.46 g/mol, XLogP of 3.87, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[2-(5-methylidenehept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one is sourced from PubChem (CID 158544330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 158544330 — identifiers, structure, computed properties (public domain)

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